Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dexmedetomidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 4/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 4/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 4/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Medetomidine SCHEMBL8368930 | 1.00 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Medetomidine SCHEMBL7532111 | 1.00 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Medetomidine SCHEMBL26432 | 0.85 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Detomidine SCHEMBL7087060 | 0.85 | ALDH1A1 (0.35) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Dexmedetomidine SCHEMBL29431568 | 0.85 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Medetomidine SCHEMBL787913 | 0.85 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Dexmedetomidine SCHEMBL119382 | 0.85 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Medetomidine SCHEMBL18497244 | 0.85 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Dexmedetomidine SCHEMBL14861666 | 0.85 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Detomidine SCHEMBL247340 | 0.85 | ALDH1A1 (0.35) | ADRA2AADRA2BADRA2CADRA1AADRA1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1981880-A2 | USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-10-22 | — | — | EP | claimed |
| WO-2007085556-A2 | USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | WO | claimed |